SCHEMBL979197

SCHEMBL979197

O=C(Cc1ccc2nccnc2c1)N1CCC(c2cc(Cl)ccc2O)=N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.49
MET P08581 1/20 0.42
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ESD P10768 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
FNTA P49354 6/20 0.34
FNTB P49356 6/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
SLC6A15 Q9H2J7 1/20 0.33
CCR5 P51681 1/20 0.33
ORAI1 Q96D31 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL981003 0.87 MET (0.42) ECE2METNPC1RAB9AMEN1
SCHEMBL979359 0.86 MET (0.49) METKMT2AMAOAMAOBORAI1
SCHEMBL982454 0.85 ME2 (0.44) METNPC1RAB9AMEN1KMT2A
SCHEMBL979465 0.84 MET (0.41) ECE2METESDMEN1POLB
SCHEMBL980992 0.84 MET (0.51) METMEN1KMT2AMAOAMAOB
SCHEMBL980755 0.82 MET (0.41) METMEN1KMT2AMAOAMAOB
SCHEMBL980062 0.81 MAPT (0.48) METNPC1MEN1KMT2AALDH1A1
SCHEMBL979473 0.80 FNTA (0.49) METFNTAFNTB
SCHEMBL983020 0.79 FNTA (0.47) METNPC1RAB9AESDKMT2A
SCHEMBL17004382 0.78 ECE2 (0.50) ECE2METNPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 ECE2 3100/4885MET 1/4885NPC1 3632/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.